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Ligand

NameCHEMBL2205916
Molecular formulaC19H17N5O2S
IUPAC name13-(cyclopropylmethylamino)-5-(4-methoxyphenyl)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Molecular weight379.438
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.4
SynonymsSCHEMBL8237391
BDBM50401704
Inchi KeyBKXACALZUUCPDW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17N5O2S/c1-26-13-6-4-12(5-7-13)24-10-23-15-14-17(20-8-11-2-3-11)21-9-22-18(14)27-16(15)19(24)25/h4-7,9-11H,2-3,8H2,1H3,(H,20,21,22)
PubChem CID57881822
ChEMBLCHEMBL2205916
IUPHARN/A
BindingDB50401704
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
26249Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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